4-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

Systemtic Name: 4-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Openeye Name: 4-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate CAS Name: 4-[4-[2-(1,3-benzothiazol-2-ylthio)ethyl]phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylate IUPAC Name: 4-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Traditional Name: 4-[4-[2-(1,3-benzothiazol-2-ylthio)ethyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate Formula: C32H29N2O3S2- MolecularWeight: 553.71426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)CCSC3=NC4=CC=CC=C4S3)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)CCSC3=NC4=CC=CC=C4S3)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

InChI

InChI=1S/C32H30N2O3S2/c35-32(36)34-17-15-27(29(20-34)37-21-23-11-12-24-5-1-2-6-26(24)19-23)25-13-9-22(10-14-25)16-18-38-31-33-28-7-3-4-8-30(28)39-31/h1-14,19,27,29H,15-18,20-21H2,(H,35,36)/p-1